Geometry & MOs

Info

ID:	187027
PubChem CID:	77520220
Reduced:	NO2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	328.297745
ΔH_f, kcal/mol:	-41.35
Dipole, Da:	2.47
IP(EA), eV:	-10.63(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanoic acid;hept-6-en-3-ol;prop-1-ene

Drug info:

PubChemData

Smile

CC(=O)C1C=NC=CC1=O

DOS

IR

Vibrations